Molecule card · MolClass #92261

AZM253

AZM253: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

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Structure and identifiers

MolClass ID: 92261
InChIKey: LWJCPHYISVLVAT-UHFFFAOYSA-N
Canonical SMILES: O=C(c1cccc(c1Cl)Cl)N2CCN(CC2)c3ccccn3
Standard InChI: InChI=1S/C16H15Cl2N3O/c17-13-5-3-4-12(15(13)18)16(22)21-10-8-20(9-11-21)14-6-1-2-7-19-14/h1-7H,8-11H2
Stored Murcko scaffold: n1ccccc1N2CCN([CH]c3ccccc3)CC2

Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.

Molecules with the same Murcko scaffold

Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.

2650#21080
SEW 06266#80726

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 36.44 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 336.216 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.22; CDK 2.12 · 2026-08-19

Saved model predictions

Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Microsome Clearance (AZ Hackathon)
Dataset #31 · AZM253